6NVC
| Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 6 | 分子名称: | ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, {(1S,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetic acid | 著者 | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | 登録日 | 2019-02-04 | 公開日 | 2020-02-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 6 To Be Published
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6BL4
| Crystal Complex of Cyclooxygenase-2 with indomethacin-ethylenediamine-dansyl conjugate | 分子名称: | 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J. | 登録日 | 2017-11-09 | 公開日 | 2018-11-14 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Fluorescent indomethacin-dansyl conjugates utilize the membrane-binding domain of cyclooxygenase-2 to block the opening to the active site. J.Biol.Chem., 294, 2019
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6BMY
| Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors SHP099 and SHP844 | 分子名称: | 1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, ... | 著者 | Stams, T, Fodor, M. | 登録日 | 2017-11-15 | 公開日 | 2018-01-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Dual Allosteric Inhibition of SHP2 Phosphatase. ACS Chem. Biol., 13, 2018
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1CXE
| COMPLEX OF CGTASE WITH MALTOTETRAOSE AT ROOM TEMPERATURE AND PH 9.1 BASED ON DIFFRACTION DATA OF A CRYSTAL SOAKED WITH ALPHA-CYCLODEXTRIN | 分子名称: | CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | 著者 | Knegtel, R.M.A, Strokopytov, B.V, Dijkstra, B.W. | 登録日 | 1995-07-28 | 公開日 | 1995-12-15 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystallographic studies of the interaction of cyclodextrin glycosyltransferase from Bacillus circulans strain 251 with natural substrates and products. J.Biol.Chem., 270, 1995
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3UTU
| High affinity inhibitor of human thrombin | 分子名称: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2S)-2-[(3-chloro-4-methoxybenzene)sulfonamido]-3-{[(4-cyanophenyl)methyl]carbamoyl}propanoyl]pyrrolidine-2-carboxamide, Hirudin variant-1, SODIUM ION, ... | 著者 | Baum, B, Steinmetzer, T, Heine, A, Klebe, G. | 登録日 | 2011-11-26 | 公開日 | 2012-08-29 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Beyond heparinization: design of highly potent thrombin inhibitors suitable for surface coupling Chemmedchem, 7, 2012
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3UWN
| The 3-MBT repeat domain of L3MBTL1 in complex with a methyl-lysine mimic | 分子名称: | Lethal(3)malignant brain tumor-like protein 1, UNKNOWN ATOM OR ION, [2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone} | 著者 | Zhong, N, Tempel, W, Wernimont, A.K, Graslund, S, Ingerman, L.A, Korboukh, V, Kireev, D.B, Gao, C, Frye, S.V, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2011-12-02 | 公開日 | 2012-03-07 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | The 3-MBT repeat domain of L3MBTL1 in complex with a methyl-lysine mimic To be Published
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1D8M
| CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A HETEROCYCLE-BASED INHIBITOR | 分子名称: | 1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE, CALCIUM ION, STROMELYSIN-1 PRECURSOR, ... | 著者 | Pikul, S, Dunham, K.M, Almstead, N.G, De, B, Natchus, M.G, Taiwo, Y.O, Williams, L.E, Hynd, B.A, Hsieh, L.C, Janusz, M.J, Gu, F, Mieling, G.E. | 登録日 | 1999-10-25 | 公開日 | 2000-10-25 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Heterocycle-based MMP inhibitors with P2' substituents. Bioorg.Med.Chem.Lett., 11, 2001
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1CIZ
| X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXES WITH NON-PEPTIDE INHIBITORS: IMPLICATION FOR INHIBITOR SELECTIVITY | 分子名称: | 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-PROPIONIC ACID, CALCIUM ION, PROTEIN (STROMELYSIN-1), ... | 著者 | Pavlovsky, A.G, Williams, M.G, Ye, Q.-Z, Ortwine, D.F, Purchase II, C.F, White, A.D, Dhanaraj, V, Roth, B.D, Johnson, L.L, Hupe, D, Humblet, C, Blundell, T.L. | 登録日 | 1999-04-06 | 公開日 | 1999-09-01 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity. Protein Sci., 8, 1999
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1HJ1
| RAT OESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH PURE ANTIOESTROGEN ICI164,384 | 分子名称: | N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)-3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-7-YL]-N-METHYLUNDECANAMIDE, NICKEL (II) ION, OESTROGEN RECEPTOR BETA, ... | 著者 | Pike, A.C.W, Brzozowski, A.M, Carlquist, M. | 登録日 | 2001-01-08 | 公開日 | 2002-01-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural Insights Into the Mode of Action of a Pure Antiestrogen Structure, 9, 2001
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6CLV
| Staphylococcus aureus Dihydropteroate Synthase (saDHPS) F17L E208K double mutant structure | 分子名称: | 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide, Dihydropteroate synthase | 著者 | Gajewski, S, Griffith, E.C, Wu, Y, White, S.W. | 登録日 | 2018-03-02 | 公開日 | 2018-08-22 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The Structural and Functional Basis for Recurring Sulfa Drug Resistance Mutations inStaphylococcus aureusDihydropteroate Synthase. Front Microbiol, 9, 2018
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6CUL
| PvdF of pyoverdin biosynthesis is a structurally unique N10-formyltetrahydrofolate-dependent formyltransferase | 分子名称: | CITRIC ACID, N-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-D-glutamic acid, Pyoverdine synthetase F | 著者 | Kenjic, N, Hoag, M.R, Moraski, G.C, Caperelli, C.A, Moran, G.R, Lamb, A.L. | 登録日 | 2018-03-26 | 公開日 | 2019-02-06 | 最終更新日 | 2019-11-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | PvdF of pyoverdin biosynthesis is a structurally unique N10-formyltetrahydrofolate-dependent formyltransferase. Arch. Biochem. Biophys., 664, 2019
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6CUX
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6CW8
| Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with RTS-V5 | 分子名称: | 1,2-ETHANEDIOL, Hdac6 protein, N-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide, ... | 著者 | Osko, J.D, Christianson, D.W. | 登録日 | 2018-03-30 | 公開日 | 2018-11-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of the First-in-Class Dual Histone Deacetylase-Proteasome Inhibitor. J. Med. Chem., 61, 2018
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6CUU
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1CXK
| COMPLEX BETWEEN A MALTONONAOSE SUBSTRATE AND BACILLUS CIRCULANS STRAIN 251 CGTASE E257Q/D229N | 分子名称: | CALCIUM ION, PROTEIN (CYCLODEXTRIN-GLYCOSYLTRANSFERASE), alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | 著者 | Uitdehaag, J.C.M, Kalk, K.H, Dijkstra, B.W. | 登録日 | 1999-02-24 | 公開日 | 1999-05-03 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | X-ray structures along the reaction pathway of cyclodextrin glycosyltransferase elucidate catalysis in the alpha-amylase family. Nat.Struct.Biol., 6, 1999
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6D1Z
| Crystal structure of Tyrosine-protein kinase receptor in complex with 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one Inhibitor | 分子名称: | 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one, 5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide, GLYCEROL, ... | 著者 | Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N. | 登録日 | 2018-04-12 | 公開日 | 2018-05-02 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors. J. Med. Chem., 62, 2019
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6D6D
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6D6O
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4ABW
| Crystal Structure of Transthyretin in Complex With Ligand C-6 | 分子名称: | TRANSTHYRETIN, {4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzene-1,3-diyl}bis[hydroxy(oxo)ammonium] | 著者 | Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M. | 登録日 | 2011-12-11 | 公開日 | 2012-09-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites. Plos One, 7, 2012
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3ZDV
| Crystal structure of the LecB lectin from Pseudomonas aeruginosa in complex with Methyl 6-(2,4,6-trimethylphenylsulfonylamido)-6-deoxy-alpha-D-mannopyranoside | 分子名称: | 1,2-ETHANEDIOL, 2,4,6-trimethylbenzenesulfonamide, CALCIUM ION, ... | 著者 | Hauck, D, Joachim, I, Frommeyer, B, Varrot, A, Philipp, B, MOller, H.M, Imberty, A, Exner, T.E, Titz, A. | 登録日 | 2012-11-30 | 公開日 | 2013-09-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Discovery of Two Classes of Potent Glycomimetic Inhibitors of Pseudomonas Aeruginosa Lecb with Distinct Binding Modes. Acs Chem.Biol., 8, 2013
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4B5B
| Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | 分子名称: | CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N,3-dimethylbenzenesulfonamide | 著者 | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H. | 登録日 | 2012-08-03 | 公開日 | 2012-10-31 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.055 Å) | 主引用文献 | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa. ACS Chem. Biol., 8, 2013
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4ARR
| Crystal structure of the N-terminal domain of Drosophila Toll receptor with the magic triangle I3C | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, TOLL RECEPTOR, ... | 著者 | Gangloff, M, Gay, N.J. | 登録日 | 2012-04-26 | 公開日 | 2013-02-27 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Liesegang-Like Patterns of Toll Crystals Grown in Gel. J.Appl.Crystallogr., 46, 2013
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4ARW
| Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | 著者 | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H. | 登録日 | 2012-04-26 | 公開日 | 2012-10-31 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.204 Å) | 主引用文献 | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa. ACS Chem. Biol., 8, 2013
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1EO5
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7G1F
| Crystal Structure of human FABP4 in complex with 1-(4-methylphenyl)sulfonyl-3-(8-tricyclo[5.2.1.02,6]decanyl)urea | 分子名称: | 4-methyl-N-{[(3aR,4R,5R,7R,7aR)-octahydro-1H-4,7-methanoinden-5-yl]carbamoyl}benzene-1-sulfonamide, FORMIC ACID, Fatty acid-binding protein, ... | 著者 | Ehler, A, Benz, J, Obst, U, Stempel, A, Rudolph, M.G. | 登録日 | 2023-04-27 | 公開日 | 2023-06-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (0.91 Å) | 主引用文献 | Crystal Structure of a human FABP4 complex To be published
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